1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine

C17H34N2 — CID 79630573

IUPAC1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-13-18-15-9-8-12-17(14-15)19(4-2)16-10-6-5-7-11-16/h15-18H,3-14H2,1-2H3
InChIKeyNSIITKFQIYJIPO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds6

About 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine

1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine (PubChem CID 79630573) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
PubChem CID79630573
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC)C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-3-13-18-15-9-8-12-17(14-15)19(4-2)16-10-6-5-7-11-16/h15-18H,3-14H2,1-2H3
InChIKeyNSIITKFQIYJIPO-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79631344
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine (CID 79630573) is 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine is CCCNC1CCCC(N(CC)C2CCCCC2)C1.
What is the InChIKey of 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine?
The InChIKey is NSIITKFQIYJIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-13-18-15-9-8-12-17(14-15)19(4-2)16-10-6-5-7-11-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine?
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 79630573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).